(5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

C39H56O6Si2 — CID 11028802

About (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one

(5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (PubChem CID 11028802) has the molecular formula C39H56O6Si2 and a molecular weight of 677.04 g/mol. Its IUPAC name is (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.

Molecular Properties

• Compound Name: (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
• PubChem CID: 11028802
• Molecular Formula: C39H56O6Si2
• Molecular Weight: 677.04 g/mol
• Exact Mass: 676.36
• IUPAC Name: (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one
• SMILES: COCOC1=CC(=O)O[C@]12C[C@@H](C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@]2(C)/C=C/CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C39H56O6Si2/c1-30-26-39(34(42-29-41-9)25-35(40)45-39)38(8,23-18-24-43-46(10,11)36(2,3)4)27-31(30)28-44-47(37(5,6)7,32-19-14-12-15-20-32)33-21-16-13-17-22-33/h12-23,25,27,30H,24,26,28-29H2,1-11H3/b23-18+/t30-,38+,39-/m1/s1
• InChIKey: LVWXCAMDMYNUQT-FORORAGGSA-N
• XLogP: 7.91
• TPSA: 63.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.04
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?

The IUPAC name of (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one (CID 11028802) is (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one.

What is the SMILES notation for (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?

The canonical SMILES for (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is COCOC1=CC(=O)O[C@]12C[C@@H](C)C(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)=C[C@]2(C)/C=C/CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?

The InChIKey is LVWXCAMDMYNUQT-FORORAGGSA-N. The full InChI is InChI=1S/C39H56O6Si2/c1-30-26-39(34(42-29-41-9)25-35(40)45-39)38(8,23-18-24-43-46(10,11)36(2,3)4)27-31(30)28-44-47(37(5,6)7,32-19-14-12-15-20-32)33-21-16-13-17-22-33/h12-23,25,27,30H,24,26,28-29H2,1-11H3/b23-18+/t30-,38+,39-/m1/s1.

What are the key properties of (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one?

(5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one has a molecular weight of 677.04 g/mol, XLogP of 7.91, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6S,9R)-6-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(methoxymethoxy)-6,9-dimethyl-1-oxaspiro[4.5]deca-3,7-dien-2-one is sourced from PubChem (CID 11028802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).